ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
39920 | CN1C(=O)c2cccc3c(S(N)(=O)=O)ccc1c23 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][C][Ring1][S][=C][Ring1][=C][Ring1][#Branch2] | CN1C(=O)c2cccc3c(S(N)(=O)=O)ccc1c23 |
39921 | CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C] | S4(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C.CN4 |
39922 | CN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)ccc1c23 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][Ring1][Ring1][#C] | CN1C(=O)c2cccc3c(S5(=O)=O)ccc1c23.N15CCCCC1 |
39923 | CC1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 | [C][C][C][C][N][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][Ring2][Ring1][#Branch1] | S5(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C.CC1CCN5CC1 |
39924 | CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Ring1][S] | CN1C(=O)c2cccc3c(S5(=O)=O)ccc1c23.c16ccccn1.N56 |
39925 | CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1C | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][C] | c14ccc(S6(=O)=O)cc1C.c17ccccn1.CC3.O34.N56.C57 |
39926 | CCOc1c(C)cc(S(=O)(=O)NCc2ccccn2)c(C)c1C | [C][C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C] | c14c(C)cc(S6(=O)=O)c(C)c1C.c17ccccn1.CC3.O34.N56.C57 |
39927 | CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C | [C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][C] | c14ccc(S6(=O)=O)cc1C.c17ccco1.CC3.O34.N56.C57 |
39928 | CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)C | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][C][Branch1][C][C][C] | c14ccc(S6(=O)=O)cc18.c17cccnc1.C8(C)C.CC3.O34.N56.C57 |
39929 | CCOc1c(C)cc(S(=O)(=O)NCc2cccnc2)c(C)c1C | [C][C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C] | c14c(C)cc(S6(=O)=O)c(C)c1C.c17cccnc1.CC3.O34.N56.C57 |
39930 | Cc1ccn(S(=O)(=O)c2ccc(F)c(C)c2)n1 | [C][C][C][=C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][N][=Ring1][S] | Cc1ccn(S(=O)(=O)c2ccc(F)c(C)c2)n1 |
39936 | COc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c13cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21.CO3 |
39937 | CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | CN(C)S(=O)(=O)N1CCN3CC1.S3(=O)(=O)c1ccccc1 |
39938 | CN(C)S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | CN(C)S(=O)(=O)N1CCN3CC1.c13ccc(Cl)cc1 |
39939 | CCN(CC)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCN5CC1.N16CCOCC1.N378.C34=O.C56=O.CC7.C8C |
39940 | O=S(=O)(N1CCCCC1)N1CCN(c2ccccc2F)CC1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | O=S(=O)(N1CCCCC1)N1CCN3CC1.c13ccccc1F |
39941 | CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(F)cc1.N14CCN5CC1.CN3C.C34=O |
39942 | O=S(=O)(N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | O=S(=O)(N1CCOCC1)N1CCN3CC1.c13ccc(F)cc1 |
39943 | Cc1cc(C)n(CC(O)COc2ccc3c(c2)CCC3)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] | c15ccc2c(c1)CCC2.Cc1cc(C)n6n1.C6C(O)C4.O45 |
39944 | O=C(c1cccs1)N1CCN(C(=O)N2CCCCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.N15CCCCC1.c16cccs1.O=C36.C45=O |
39945 | O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][Ring1][=C][=O][N][C][C][C][C][Ring1][Branch1] | c15cc2c(ccc3ccccc32)oc1=O.N14CCCC1.O=C45 |
39946 | Cc1cc(C)cc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][N][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | Cc1cc6cc(C)c1.C4(C)C3=O.N13CCCC1.S5(C)(=O)=O.N456 |
39947 | Cc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1][C] | Cc1ccc6cc1C.N13CCCCC1.C4(C)C3=O.S5(C)(=O)=O.N456 |
39948 | Cc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.N13CCOCC1.C4C3=O.S5(C)(=O)=O.N456 |
39949 | Cc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.C4(C)C3=O.N13CCCC1.S5(C)(=O)=O.N456 |
39950 | COc1cc(C#N)ccc1OCc1nc(-c2ccccc2)no1 | [C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c14cc(C#N)ccc15.c16nc7no1.c17ccccc1.CO4.O35.C36 |
39951 | O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1cccnc1 | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n17cc6c2ccccc21.c18cccnc1.O=C3C7.C56=O.C15CC1.N34.C48 |
39952 | CCN(CC)C(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | n17cc6c2ccccc21.C6(=O)C(C)(C)C.C3(=O)C7.N345.CC4.C5C |
39953 | NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 | [N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | n15cc3c2ccccc21.c14ccccc1F.NC(=O)C5.C34=O |
39954 | CC(=O)Nc1ccc(OCC(O)Cn2cnc3ccccc32)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n18cnc2ccccc21.c17ccc6cc1.C5C(O)C8.CC4=O.N47.O56 |
39955 | CC(=O)Nc1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | n18c(C)nc2ccccc21.c17ccc6cc1.C5C(O)C8.CC4=O.N47.O56 |
39956 | Cc1nc2ccccc2n1CC(O)COc1cccc(N)c1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1] | Cc1nc2ccccc2n15.c14cccc(N)c1.C5C(O)C3.O34 |
39957 | N#CCc1nc(-c2ccc3ccccc3c2)cs1 | [N][#C][C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][S][Ring1][#C] | c15ccc2ccccc2c1.c14nc5cs1.N#CC4 |
39959 | Cc1csc(NC(=O)CSc2nnnn2-c2ccccc2)n1 | [C][C][=C][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1csc5n1.c17nnnn16.c16ccccc1.C3(=O)C4.N35.S47 |
39960 | CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 | [C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S] | S5(=O)(=O)c1ccc(F)cc1.C16CCCN5C1.C36=O.CC4.N34 |
39961 | CC(C)(C)NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n17cc6c2ccccc21.CC4(C)C.C3(=O)C7.C56=O.C15CC1.N34 |
39962 | CC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S] | S5(=O)(=O)c1ccc(F)cc1.C16CCCN5C1.CC4C.C36=O.N34 |
39964 | CNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S] | S4(=O)(=O)c1ccc(F)cc1.C15CCCN4C1.C35=O.CN3 |
39966 | CCNc1nc(N2CCCC2)nc(N2CCCC2)n1 | [C][C][N][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][S] | c14nc5nc6n1.N15CCCC1.N16CCCC1.CC3.N34 |
39967 | COc1ccc(Cn2c(=O)c(=O)oc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Ring1][O][C] | n16c(=O)c(=O)oc2ccccc21.c14ccc7cc15.CO4.C67.O5C |
39968 | Cc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][S][Ring1][P] | N4C1=NS(=O)(=O)c2ccccc21.Cc1nnc4s1 |
39969 | COc1ccc(OC)c(NC(=O)Cn2c(=O)oc3ccccc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | n18c(=O)oc2ccccc21.c15ccc6c7c1.C4(=O)C8.CO5.O6C.N47 |
39970 | Cc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][Ring1] | n16c(=O)oc2ccccc21.Cc1nnc5s1.C4(=O)C6.N45 |
39971 | CCCc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][Ring1] | n16c(=O)sc2ccccc21.c17nnc5s1.C4(=O)C6.CCC7.N45 |
39972 | Cc1sc(NC(=O)Cn2c(=O)sc3ccccc32)c(C#N)c1C | [C][C][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring1][Branch1][C] | n16c(=O)sc2ccccc21.Cc1sc5c(C#N)c1C.C4(=O)C6.N45 |
39973 | O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(F)cc1F | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | n15c(=O)sc2ccccc21.c14ccc(F)cc1F.O=C3C5.N34 |
39974 | O=C(Cn1c(=O)sc2ccccc21)Nc1nccs1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=N][C][=C][S][Ring1][Branch1] | n15c(=O)sc2ccccc21.c14nccs1.O=C3C5.N34 |
39975 | N#CCc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 | [N][#C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | n16c(=O)oc2ccccc21.c17ccc5cc1.C4(=O)C6.N#CC7.N45 |
39976 | COc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc6cc1.c18ncnn17.c17ccccc1.C3(=O)C5.CO4.N36.S58 |
39978 | Oc1ccccc1NCC(O)Cn1ccc2ccccc21 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2ccccc21.Oc1ccccc14.C3C(O)C5.N34 |
39979 | Cc1ccccc1-c1nnc(NC(=O)C(C)C)s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][Ring1][O] | Cc1ccccc14.c14nnc3s1.C2(=O)C(C)C.N23 |
39980 | COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cccc8c15.c17ncc9n1C.c19ccccc1.CO4.C68.N67.O5C |
39981 | Cn1c(-c2ccccc2)cnc1NCc1ccc(C#N)cc1 | [C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][O][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] | c15ccc(C#N)cc1.Cn1c6cnc14.c16ccccc1.N34.C35 |
39982 | Cn1c(-c2ccccc2)cnc1NCc1cccc(F)c1 | [C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cn1c6cnc14.c15cccc(F)c1.c16ccccc1.N34.C35 |
39983 | Cn1c(-c2ccc(F)cc2)cnc1NCc1cccnc1 | [C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][=C][Ring1][N][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c6cnc14.c16ccc(F)cc1.c15cccnc1.N34.C35 |
39984 | COc1ccc(-c2cnc(NCc3ccc(F)cc3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | c14ccc8cc1.c18cnc6n1C.c17ccc(F)cc1.CO4.N56.C57 |
39985 | COc1ccc(CNc2ncc(-c3ccc(OC)cc3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][=N][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.c17ncc9n1C.c19ccc5cc1.CO4.C68.N67.O5C |
39986 | COc1ccc(-c2cnc(NCc3ccccc3OC)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][=C][Branch1][=N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc9cc1.c19cnc7n1C.c18ccccc15.CO4.N67.C68.O5C |
39987 | COc1ccc(-c2cnc(NCc3cccc(OC)c3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc9cc1.c19cnc7n1C.c18cccc5c1.CO4.N67.C68.O5C |
39988 | COc1ccc(-c2cnc(NCc3ccccc3F)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | c14ccc8cc1.c18cnc6n1C.c17ccccc1F.CO4.N56.C57 |
39989 | Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1F | [C][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][N][=C][Ring1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccc2c(c1)OCO2.Cn1c7cnc15.c16ccccc1F.N45.C46 |
39990 | COc1cccc(CNc2ncc(-c3cccc(OC)c3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c14cccc8c1.c17ncc9n1C.c19cccc5c1.CO4.C68.N67.O5C |
39991 | COc1cccc(-c2cnc(NCc3ccccc3F)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][N][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c14cccc8c1.c18cnc6n1C.c17ccccc1F.CO4.N56.C57 |
39992 | COc1ccc(-c2cnc(NCc3cccc(F)c3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | c14ccc8cc1.c18cnc6n1C.c17cccc(F)c1.CO4.N56.C57 |
39993 | COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=N][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring1][=C][C][C][=C][Ring2][Ring1][#Branch1] | c19ccc2c(c1)OCO2.c15ccc8cc1.c17ncc9n1C.CO5.C68.N67 |
39994 | Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(F)cc1 | [C][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][N][=C][Ring1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc2c(c1)OCO2.Cn1c7cnc15.c16ccc(F)cc1.N45.C46 |
39995 | COc1cccc(-c2cnc(NCc3cccc(F)c3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=C][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c14cccc8c1.c18cnc6n1C.c17cccc(F)c1.CO4.N56.C57 |
39996 | COc1cccc(-c2cnc(NCc3ccc(F)cc3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=C][N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c14cccc8c1.c18cnc6n1C.c17ccc(F)cc1.CO4.N56.C57 |
39997 | COc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][Ring1][=N][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.c17ncc9n1C.c19cccc5c1.CO4.C68.N67.O5C |
39998 | Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(C#N)cc1 | [C][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][N][=C][Ring1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] | c17ccc2c(c1)OCO2.c16ccc(C#N)cc1.Cn1c7cnc15.N45.C46 |
39999 | Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(F)c1 | [C][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][N][=C][Ring1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17ccc2c(c1)OCO2.Cn1c7cnc15.c16cccc(F)c1.N45.C46 |
40000 | Cc1ccc(Nc2nc(C(=O)NCC(N)=O)cs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][=C][S][Ring1][N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c15nc7cs1.C4C(N)=O.C37=O.N56.N34 |
40001 | O=C(NCc1ccccn1)c1csc(Nc2ccccc2Cl)n1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][S][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][=N] | c16ccccc1Cl.c18ccccn1.c17csc5n1.O=C37.N34.C48.N56 |
40003 | COc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][S][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c17nc9cs1.c1%10ccco1.C49=O.CO5.N78.N46.C6%10 |
40004 | CCN(CC)C(=O)c1csc(Nc2ccc(OC)cc2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][S][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][=C] | c18ccc4cc1.c19csc7n1.N356.C39=O.CC5.C6C.N78.O4C |
40006 | COc1ccc(-c2cnc(NC(=O)c3ccccc3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c18cnc6n1C.c17ccccc1.C47=O.CO5.N46 |
40007 | COc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c18cnc6n1C.c17ccc(F)cc1.C47=O.CO5.N46 |
40009 | COc1cccc2c(N3CCOCC3)c3c(cnn3C)nc12 | [C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][N][=C][Ring2][Ring1][Ring2][Ring1][S] | c14cccc2c5c3c(cnn3C)nc12.N15CCOCC1.CO4 |
40012 | Cc1ccc(NC(=O)C(O)C(O)C(O)CO)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O][C][=C][Ring1][P][C] | C2(=O)C(O)C(O)C(O)CO.Cc1ccc3cc1C.N23 |
40014 | Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2ncc6c2n1.C15CCCCC1.C46=O.N45 |
40015 | Cc1cc(C)n2ncc(C(=O)Nc3cccc4ccccc34)c2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][C][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n2ncc7c2n1.c16cccc2ccccc12.C57=O.N56 |
40016 | Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCO4)c2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2ncc7c2n1.c16ccc2c(c1)OCO2.C57=O.N56 |
40017 | Cc1cc(C)n2ncc(C(=O)NC(C)c3ccccc3)c2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2ncc6c2n1.c17ccccc1.C46=O.C57C.N45 |
40018 | COc1ccc(CNC(=O)c2cnn3c(C)cc(C)nc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][C][=Ring1][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c17cnn2c(C)cc(C)nc12.c15ccc8cc1.C47=O.CO5.C68.N46 |
40019 | Cc1cc(C)n2ncc(C(=O)NCCc3ccccc3)c2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2ncc6c2n1.c17ccccc1.C46=O.C5C7.N45 |
40022 | O=C(NCCc1ccc(O)cc1)c1cc(=O)[nH]c(=O)[nH]1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2] | c14cc(=O)[nH]c(=O)[nH]1.c15ccc(O)cc1.O=C24.C3C5.N23 |
40023 | COC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(F)cc1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
40024 | COc1cc(C(=O)NC(C)Cc2ccccc2)ccn1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][C] | c14cc6ccn1.c17ccccc1.C5(C)C7.C36=O.CO4.N35 |
40025 | Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccc(O)c1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | Cc1cc5nn14.c13cccc(O)c1.C5(F)(F)F.C4C2=O.N23 |
40026 | COC(=O)c1ccc(-c2nc3cc(N)cc(Cl)c3o2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][N][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring1][O][C][=C][Ring1][P] | c16nc2cc(N)cc(Cl)c2o1.c15ccc6cc1.C45=O.CO4 |
40028 | CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][C][C] | c17[nH]c2ccc(Br)cc2c16.C4(=O)CC.C37=O.CC5.O35.N46 |
40029 | Cn1nnc2c([nH]c3ccc(Br)cc32)c1=O | [C][N][N][=N][C][=C][Branch1][#C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][=C][=O] | Cn1nnc2c([nH]c3ccc(Br)cc32)c1=O |
40030 | COc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14ccc8c5c1.N13CCCC1.C6C3=O.S7(C)(=O)=O.N678.CO4.O5C |
40031 | Cn1c(=O)[nH]c(=O)c2c1nc(N)n2Cc1ccccc1Cl | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cn1c(=O)[nH]c(=O)c2c1nc(N)n23.c14ccccc1Cl.C34 |
40032 | CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl | [C][C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14nc2c(c(=O)[nH]c(=O)n2C)n15.c16ccccc1Cl.CC3.N34.C56 |
40033 | CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N14CCN5CC1.c18ccc(C)cc1.C5(=O)C7.C34=O.CC6.O36.O78 |
40034 | Cn1c(=O)[nH]c2c(nc(-c3ccc(Cl)cc3)n2C)c1=O | [C][N][C][=Branch1][C][=O][NH1][C][=C][Branch2][Ring1][Ring2][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)[nH]c2c(nc4n2C)c1=O.c14ccc(Cl)cc1 |
40036 | COc1ccc(S(=O)(=O)NCc2ccncc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc(S5(=O)=O)cc1.c16ccncc1.CO3.N45.C46 |
40039 | CC(=O)Nc1ccc(C2(O)COc3ccccc3O2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | C16(O)COc2ccccc2O1.c15ccc6cc1.CC4=O.N45 |
40040 | COc1ccc(Cc2nc(-c3cccnc3)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c16nc8no1.c18cccnc1.CO4.C67.O5C |
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